N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C20H15N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C20H15N2O3Br |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C20H15BrN2O3/c21-17-10-19-18(25-12-26-19)8-15(17)11-22-23-20(24)9-14-6-3-5-13-4-1-2-7-16(13)14/h1-8,10-11H,9,12H2,(H,23,24) |
| InChIK | RPMUFNKTTHCDSJ-UHFFFAOYSA-N |
| TotalMolweight | 411.254 |
| Molweight | 411.254 |
| MonoisotopicMass | 410.026604 |
| CLogP | 5.2307 |
| CLogS | -6.837 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 274.24 |
| Relative PSA | 0.20424 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4108 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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